N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine

C17H25N3 — CID 63374301

IUPACN-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
SMILESCCCNCc1cc(N(C)CCC)c2ccccc2n1
InChIInChI=1S/C17H25N3/c1-4-10-18-13-14-12-17(20(3)11-5-2)15-8-6-7-9-16(15)19-14/h6-9,12,18H,4-5,10-11,13H2,1-3H3
InChIKeyHGLHOORSXLCMQH-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.58
Rot. Bonds7

About N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine

N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine (PubChem CID 63374301) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
PubChem CID63374301
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
SMILESCCCNCc1cc(N(C)CCC)c2ccccc2n1
InChIInChI=1S/C17H25N3/c1-4-10-18-13-14-12-17(20(3)11-5-2)15-8-6-7-9-16(15)19-14/h6-9,12,18H,4-5,10-11,13H2,1-3H3
InChIKeyHGLHOORSXLCMQH-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylaminomethyl)-N-methyl-N-propylquinolin-4-amine
CID 55183246
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
CID 63374302
2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
CID 63373834
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine
CID 63377528
N'-methyl-N-propyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62593732
4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
CID 133402476
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine
CID 63373858
N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine
CID 102985914
N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine
CID 62288336

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine?
The IUPAC name of N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine (CID 63374301) is N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine.
What is the SMILES notation for N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine?
The canonical SMILES for N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine is CCCNCc1cc(N(C)CCC)c2ccccc2n1.
What is the InChIKey of N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine?
The InChIKey is HGLHOORSXLCMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-18-13-14-12-17(20(3)11-5-2)15-8-6-7-9-16(15)19-14/h6-9,12,18H,4-5,10-11,13H2,1-3H3.
What are the key properties of N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine?
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine is sourced from PubChem (CID 63374301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).